(E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide

C19H19N3O2S — CID 9110151

IUPAC(E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)/C=C/c1cccs1
InChIInChI=1S/C19H19N3O2S/c1-14(2)22(18(23)11-10-16-9-6-12-25-16)13-17-20-21-19(24-17)15-7-4-3-5-8-15/h3-12,14H,13H2,1-2H3/b11-10+
InChIKeyWQNRFXDIKPKBJN-ZHACJKMWSA-N
MW353.45 g/mol
LogP4.25
Rot. Bonds6

About (E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide

(E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide (PubChem CID 9110151) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide
PubChem CID9110151
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)/C=C/c1cccs1
InChIInChI=1S/C19H19N3O2S/c1-14(2)22(18(23)11-10-16-9-6-12-25-16)13-17-20-21-19(24-17)15-7-4-3-5-8-15/h3-12,14H,13H2,1-2H3/b11-10+
InChIKeyWQNRFXDIKPKBJN-ZHACJKMWSA-N
XLogP4.25
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide (CID 9110151) is (E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide is CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)/C=C/c1cccs1.
What is the InChIKey of (E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is WQNRFXDIKPKBJN-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14(2)22(18(23)11-10-16-9-6-12-25-16)13-17-20-21-19(24-17)15-7-4-3-5-8-15/h3-12,14H,13H2,1-2H3/b11-10+.
What are the key properties of (E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide?
(E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 353.45 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 9110151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).